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Tags: Electronic Structure Calculations

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  1. Berkeley XAS

    13 Jun 2011 | Tools | Contributor(s): Benjamin Han, Andrew Taber, Keith Gilmore, David Prendergast

    Calculate core level x-ray absorption spectra for molecules and crystals

    http://nanohub.org/resources/xas

  2. Bryan M. Wong

    Prof. Bryan M. Wong is an assistant professor in the Department of Chemical & Environmental Engineering and Materials Science & Engineering Program at UC Riverside. He is listed in the Reviews in...

    http://nanohub.org/members/83576

  3. NEMO5 Tutorial 4B: Device Modeling - Metals

    18 Jul 2012 | Online Presentations | Contributor(s): Ganesh Krishna Hegde

    Describes some of the modifications made to NEMO5 to include Nth nearest neighbor interactions so that metal electronic structure and transport can be studied. Also includes instructions on how to...

    http://nanohub.org/resources/14720

  4. Roger French

    Roger H. French is the F. Alex Nason Professor in the Department of Materials Science and Engineering in the Case School of Engineering, Case Western Reserve University, Cleveland, Ohio. He has...

    http://nanohub.org/members/81411

  5. Why quantum dot simulation domain must contain multi-million atoms?

    11 Jan 2013 | Online Presentations | Contributor(s): Muhammad Usman

    The InGaAs quantum dots obtained from the self-assembly growth process are heavily strained. The long-range strain and piezoelectric fields significantly modifies the electronic structure of the...

    http://nanohub.org/resources/16192

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